AG000FXS

30536-19-7 | 2,1,3-Benzothiadiazol-4-amine, 5-chloro-

AG000FXS

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CAS Number	30536-19-7
Catalog Number	AG000FXS(AGN-PC-0JW6RM)
Chemical Name	2,1,3-Benzothiadiazol-4-amine, 5-chloro-
IUPAC Name	5-chloro-2,1,3-benzothiadiazol-4-amine
InChI	InChI=1S/C6H4ClN3S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2
InChI Key	MURNIACGGUSMAP-UHFFFAOYSA-N
MDL Number	MFCD00465908
Molecular Formula	C6H4ClN3S
Molecular Weight	185.6341
SMILES	NC1=C(C=CC2=NSN=C21)Cl
UNII	U6QN8431MF
Synonyms	30536-19-7, 4-Amino-5-chloro-2,1,3-benzothiadiazole, 5-Chlorobenzo[c][1,2,5]thiadiazol-4-amine, 5-chloro-2,1,3-benzothiadiazol-4-amine, 5-Chloro-benzo[1,2,5]thiadiazol-4-ylamine, 2,1,3-Benzothiadiazol-4-amine, 5-chloro-, UNII-U6QN8431MF, 4-Amino-5-chloropiazthiole, U6QN8431MF, Tizanidine Impurity A, 5-chlorobenzo[c]1,2,5-thiadiazole-4-ylamine, Tizanidine related compound A, Tizanidine related compound A [USP], AC1LGHYZ, Tizanidine related compound A RS [USP], ACMC-209hgq, 5-chloro-4-amino-2,1,3-benzothiadiazole, AC1Q3OTD, Oprea1_447513, ARONIS25358, SCHEMBL2208698, CTK4A9314, DTXSID80184610, MURNIACGGUSMAP-UHFFFAOYSA-N, ZINC254834, ALBB-010480, KS-000011XQ, ANW-26904, BBL028675, MFCD00465908, SBB050386, STK397705, AKOS000108011, MCULE-7699223420, VZ28263, AJ-18421, AS-31823, BAS 00347563, ZB009874, 5-Chloro-2,1,3-benzothiadiazol-4-ylamine, 5-Chlorobenzo[1,2,5]thiadiazol-4-ylamine, AB0019865, DB-011277, TR-055269, AM20040139, BB 0244893, EU-0033553, FT-0638927, R3237, ST24044671, ST45054155, V0418, EN300-91514, KS-00004788, 536A197, SR-01000390058, I09-0219, J-018002, SR-01000390058-1, 5-Chloro-2,1,3-benzothiadiazol-4-amine, AldrichCPR, 5-Chloro-2,1,3-benzothiadiazol-4-amine (4-Amino-5-chloro-2,1,3-benzothiadiazole), C6H4ClN3S, AR-1G7692, CID771620, ZINC00254834, CS-O-10627, CS-T-02197, A1513, 4-AMINO-5-CHLORO-1,2,3-BENZOTHIADIAZOLE, 115398-34-0, 30770-24-2,

Complexity	157
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.981g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.629g/mol
Monoisotopic Mass	184.981g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	80A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number